%chk=000170561.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000170561

0 1
 S    1.815200     -0.1192000      0.5422000    
 O    2.586100      0.9846000       1.096600    
 O    1.735800      -1.380600       1.266100    
 O    4.746200     -3.6600001E-02 -0.4045000    
 O   -4.401500     -0.4579000     -0.3253000    
 O   -3.022700      -2.113500      9.5200002E-02
 N   -3.247100     -0.8939000     -9.7400002E-02
 C    2.469900     -0.4876000      -1.070000    
 C   0.1969000      0.4576000      0.2314000    
 C    3.891500      -1.009400     -0.9919000    
 C  -0.8693000     -0.4411000      0.1932000    
 C  -2.9500000E-02   1.817600      1.9600000E-02
 C   -2.161800      2.0400001E-02 -5.6699999E-02
 C   -1.321900       2.279100     -0.2301000    
 C   -2.388000       1.380500     -0.2683000    
 H    1.814800      -1.227500      -1.538700    
 H    2.438300      0.4457000      -1.641800    
 H    3.943200      -1.920700     -0.3876000    
 H    4.264400      -1.233900      -1.996100    
 H  -0.6771000      -1.499100      0.3521000    
 H   0.7865000       2.534500      3.7300002E-02
 H   -1.497500       3.337900     -0.3968000    
 H   -3.380900       1.775900     -0.4664000    
 H    5.640300     -0.4183000     -0.3830000    


%chk=000170561-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000170561

0 1
S 2.203233 0.657805 0.564323
O 2.686563 2.138691 1.054362
O 2.369977 -0.694379 1.499427
O 3.936794 -1.974251 -0.440742
O -3.953389 -1.250661 -0.109726
O -2.134274 -2.552016 0.346697
N -2.691321 -1.418626 0.092435
C 3.090556 0.251597 -1.131220
C 0.345516 0.787524 0.178697
C 3.081653 -1.262576 -1.373881
C -0.432890 -0.372632 0.268508
C -0.173008 2.063744 -0.100858
C -1.813266 -0.215278 0.021227
C -1.563406 2.178428 -0.336753
C -2.391342 1.036502 -0.282523
H 2.543030 0.849624 -1.878939
H 4.104883 0.644753 -0.953819
H 2.041729 -1.657441 -1.379838
H 3.509289 -1.442344 -2.377352
H -0.011520 -1.342853 0.550175
H 0.487678 2.937648 -0.097913
H -1.999622 3.157948 -0.553739
H -3.468800 1.097073 -0.457503
H 3.563738 -1.823778 0.478053


